2 papers
cond-mat.mtrl-sci2025
Advancing AI-Driven Analysis in X-ray Absorption Spectroscopy: Spectral Domain Mapping and Universal Models
Nina Cao, Pavan Ravindra, Shubha R. Kharel +6
In recent years, rapid progress has been made in developing artificial intelligence (AI) and machine learning (ML) methods for x-ray absorption spectroscopy (XAS) analysis. Compare…
cond-mat.mtrl-sci2024
CuXASNet: Rapid and Accurate Prediction of Copper L-edge X-Ray Absorption Spectra Using Machine Learning
Samuel P. Gleason, Matthew R. Carbone, Deyu Lu +1
In this work, we have developed CuXASNet, a dense neural network that predicts simulated Cu L-edge X-ray absorption spectra (XAS) from atomic structures. Featurization of the Cu lo…